octyl 5-oxopyrrolidine-2-carboxylate

C13H23NO3 — CID 3861700

IUPACoctyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeySXDPDVGGPOQXTM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.17
Rot. Bonds8

About octyl 5-oxopyrrolidine-2-carboxylate

octyl 5-oxopyrrolidine-2-carboxylate (PubChem CID 3861700) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is octyl 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameoctyl 5-oxopyrrolidine-2-carboxylate
PubChem CID3861700
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoctyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeySXDPDVGGPOQXTM-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze octyl 5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
[(E)-docos-5-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316391
[(E)-icos-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316360
[(E)-icos-15-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316362
[(E)-octadec-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316325
[(E)-heptadec-4-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316300
dodec-4-enyl 5-oxopyrrolidine-2-carboxylate
CID 54310803
docosyl (2S)-4-oxoazetidine-2-carboxylate
CID 100921678

Frequently Asked Questions

What is the IUPAC name of octyl 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of octyl 5-oxopyrrolidine-2-carboxylate (CID 3861700) is octyl 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for octyl 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for octyl 5-oxopyrrolidine-2-carboxylate is CCCCCCCCOC(=O)C1CCC(=O)N1.
What is the InChIKey of octyl 5-oxopyrrolidine-2-carboxylate?
The InChIKey is SXDPDVGGPOQXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of octyl 5-oxopyrrolidine-2-carboxylate?
octyl 5-oxopyrrolidine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 3861700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).